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Compound Detail

CHEMBL480354

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O=C1N=C(NCCO)N/C1=C1/CCNC(=O)c2[nH]c3ccsc3c21

Basic Information

ChEMBL ID CHEMBL480354
Phase Preclinical
Structure Type MOL
InChI Key UAUDFVXPXLPWFH-YFHOEESVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
0.14
ALogP
6
HBA
5
HBD
118.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O3S
MW 345.38
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.11

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Chk1
CHEMBL4630
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Chk1 IC50 = 1700.0 nM 5.77 Inhibition of CHK1 19111462

Literature References

PubMed DOI Target Context # Activities
19111462 10.1016/j.bmcl.2008.12.001 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine